3-Bromo-5-ethoxy-4-hydroxybenzonitrile
TL;DR: 3-Bromo-5-ethoxy-4-hydroxybenzonitrile (CAS 330462-57-2) is a chemical compound with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-hydroxybenzonitrile
Also Known As: 3-bromo-5-ethoxy-4-hydroxybenzonitrile, 3-Bromo-5-Ethoxy-4-Hydroxy-Benzonitrile, 1-Methyl-3-phenyl-2-thiourea, 3-bromo-5-ethoxy-4-hydroxybenzenecarbonitrile, 3-Bromo-5-ethoxy-4-hydroxybenzonitrile, AldrichCPR
| Molecular Formula | C9H8BrNO2 |
|---|---|
| Molecular Weight | 240.97 g/mol |
| LogP | 2.42508 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.97385 |
| Heavy Atoms | 13 |
| Complexity | 357.3677 |
Chemical Identifiers
| CAS Number | 330462-57-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C#N)Br)O |
Product Overview
3-Bromo-5-ethoxy-4-hydroxybenzonitrile (CAS 330462-57-2), with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol. IUPAC: 3-bromo-5-ethoxy-4-hydroxybenzonitrile.
Chemical Property Profile of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile
Property Insights of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile
The XLogP value of 2.42508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-ethoxy-4-hydroxybenzonitrile. With a topological polar surface area (TPSA) of 53.25 Ų, 3-Bromo-5-ethoxy-4-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-ethoxy-4-hydroxybenzonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile?
The CAS number of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile is 330462-57-2.
What is the molecular formula of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile?
The molecular formula of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile is C9H8BrNO2.
What is the molecular weight of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile?
The molecular weight of 3-Bromo-5-ethoxy-4-hydroxybenzonitrile is 240.97 g/mol.
Where can I buy 3-Bromo-5-ethoxy-4-hydroxybenzonitrile?
You can request a quote for 3-Bromo-5-ethoxy-4-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-ethoxy-4-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-ethoxy-4-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.